SCHEMBL22170495

SCHEMBL22170495

BCCc1ccc(OC2CNC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22170409 0.87 SLC6A4 (0.35) SLC6A4HTR2CHTR2B
SCHEMBL22170463 0.84 SLC6A4 (0.35) SLC6A4HTR2CHTR2BHTR1ASLC6A2
SCHEMBL22170687 0.75 SLC6A4 (0.35) SLC6A4HTR2CHTR2BHTR1ASLC6A2
SCHEMBL22170451 0.75 SLC6A4 (0.45) SLC6A4HTR2CHTR2B
SCHEMBL22170505 0.74
SCHEMBL22170657 0.72 SLC6A2 (0.39) SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL22170560 0.71
SCHEMBL326745 0.69 KMT2A (0.57) SLC6A4
SCHEMBL22170702 0.65 TAAR1 (0.30)
SCHEMBL10244218 0.63 SLC6A4 (0.49) SLC6A4HTR2CHTR2BHTR1ASLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020138499-A1 ALKYL-SUBSTITUTED COMPOUND 大日本住友製薬株式会社 2020-07-02 WO disclosed